Details
| Original language | English |
|---|---|
| Pages (from-to) | 2256-2262 |
| Number of pages | 7 |
| Journal | Inorganic chemistry |
| Volume | 40 |
| Issue number | 10 |
| Publication status | Published - 7 May 2001 |
Abstract
The conceptually simple mixed-valent diiron compound (NEt4)5Fe(μ-tz)Fe(CN)5] with the 1,2,4,5-tetrazine (tz) bridging ligand was obtained as a thermally and air-stable material that displays large and highly variable electrochemical comproportionation constants between about 108 (in water) and 1019.0 (in acetonitrile). Strong metal-metal interaction is also evident from spectroscopic results obtained for the solid and for the dissolved species. The rather intense intervalence charge-transfer band occurs around 2400 nm; infrared and Mössbauer spectra reveal the high spectroscopic symmetry of the system according to an (Fe2.5)2 formulation. DFT calculations on the [(NC)5Fe(μ-tz)Fe(CN)5]6- ion confirm the presence of very low-lying π*(tz) and high-lying d(Fe) orbitals.
ASJC Scopus subject areas
- Chemistry(all)
- Physical and Theoretical Chemistry
- Chemistry(all)
- Inorganic Chemistry
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In: Inorganic chemistry, Vol. 40, No. 10, 07.05.2001, p. 2256-2262.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - The stable diiron(2.5) complex ion [(NC)5Fe(μ-tz)Fe(CN)5]5-, tz = 1,2,4,5-tetrazine, and its neighboring oxidation states
AU - Glöckle, M.
AU - Kaim, W.
AU - Klein, A.
AU - Roduner, E.
AU - Hübner, G.
AU - Zalis, S.
AU - Van Slageren, J.
AU - Renz, F.
AU - Gütlich, P.
PY - 2001/5/7
Y1 - 2001/5/7
N2 - The conceptually simple mixed-valent diiron compound (NEt4)5Fe(μ-tz)Fe(CN)5] with the 1,2,4,5-tetrazine (tz) bridging ligand was obtained as a thermally and air-stable material that displays large and highly variable electrochemical comproportionation constants between about 108 (in water) and 1019.0 (in acetonitrile). Strong metal-metal interaction is also evident from spectroscopic results obtained for the solid and for the dissolved species. The rather intense intervalence charge-transfer band occurs around 2400 nm; infrared and Mössbauer spectra reveal the high spectroscopic symmetry of the system according to an (Fe2.5)2 formulation. DFT calculations on the [(NC)5Fe(μ-tz)Fe(CN)5]6- ion confirm the presence of very low-lying π*(tz) and high-lying d(Fe) orbitals.
AB - The conceptually simple mixed-valent diiron compound (NEt4)5Fe(μ-tz)Fe(CN)5] with the 1,2,4,5-tetrazine (tz) bridging ligand was obtained as a thermally and air-stable material that displays large and highly variable electrochemical comproportionation constants between about 108 (in water) and 1019.0 (in acetonitrile). Strong metal-metal interaction is also evident from spectroscopic results obtained for the solid and for the dissolved species. The rather intense intervalence charge-transfer band occurs around 2400 nm; infrared and Mössbauer spectra reveal the high spectroscopic symmetry of the system according to an (Fe2.5)2 formulation. DFT calculations on the [(NC)5Fe(μ-tz)Fe(CN)5]6- ion confirm the presence of very low-lying π*(tz) and high-lying d(Fe) orbitals.
UR - http://www.scopus.com/inward/record.url?scp=0035820558&partnerID=8YFLogxK
U2 - 10.1021/ic001229i
DO - 10.1021/ic001229i
M3 - Article
C2 - 11327899
AN - SCOPUS:0035820558
VL - 40
SP - 2256
EP - 2262
JO - Inorganic chemistry
JF - Inorganic chemistry
SN - 0020-1669
IS - 10
ER -